(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide

C13H19NO2 — CID 140551869

IUPAC(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCNC(=O)C[C@@H](C)Cc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-10(8-13(15)14-2)7-11-5-4-6-12(9-11)16-3/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyOIKDHSPVEKBYBN-JTQLQIEISA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds5

About (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide

(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide (PubChem CID 140551869) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide.

Molecular Properties

Compound Name(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide
PubChem CID140551869
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide
SMILESCNC(=O)C[C@@H](C)Cc1cccc(OC)c1
InChIInChI=1S/C13H19NO2/c1-10(8-13(15)14-2)7-11-5-4-6-12(9-11)16-3/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)/t10-/m0/s1
InChIKeyOIKDHSPVEKBYBN-JTQLQIEISA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 138724732
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N-[1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 541954
N-[(2R)-1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918939
N-[1-(3-methoxyphenyl)propan-2-yl]butanamide
CID 174918913
2-(3-methoxyphenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799670
4-(3-methoxyphenyl)-3-methylbutan-1-amine
CID 79002230
3-(3-methoxyphenyl)-5-(methylamino)-5-oxopentanoic acid
CID 112511466
2-(2-hydroxyphenyl)-N-[(2S)-1-(3-methoxyphenyl)propan-2-yl]acetamide
CID 96532447
1-[(2S)-2-bromopropyl]-3-methoxybenzene
CID 129368805
1-methoxy-3-(2-methoxypropyl)benzene
CID 56987806

Frequently Asked Questions

What is the IUPAC name of (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide?
The IUPAC name of (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide (CID 140551869) is (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide.
What is the SMILES notation for (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide?
The canonical SMILES for (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide is CNC(=O)C[C@@H](C)Cc1cccc(OC)c1.
What is the InChIKey of (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide?
The InChIKey is OIKDHSPVEKBYBN-JTQLQIEISA-N. The full InChI is InChI=1S/C13H19NO2/c1-10(8-13(15)14-2)7-11-5-4-6-12(9-11)16-3/h4-6,9-10H,7-8H2,1-3H3,(H,14,15)/t10-/m0/s1.
What are the key properties of (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide?
(3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide has a molecular weight of 221.30 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-(3-methoxyphenyl)-N,3-dimethylbutanamide is sourced from PubChem (CID 140551869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).